ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate

C10H20N2O3 — CID 11390304

IUPACethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H20N2O3/c1-4-15-9(13)6-12-10(14)8(11)5-7(2)3/h7-8H,4-6,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyPMKXAKKWRBOEIC-QMMMGPOBSA-N
MW216.28 g/mol
LogP0.04
Rot. Bonds6

About ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate

ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate (PubChem CID 11390304) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate
PubChem CID11390304
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H20N2O3/c1-4-15-9(13)6-12-10(14)8(11)5-7(2)3/h7-8H,4-6,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyPMKXAKKWRBOEIC-QMMMGPOBSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate (CID 11390304) is ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate is CCOC(=O)CNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate?
The InChIKey is PMKXAKKWRBOEIC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-15-9(13)6-12-10(14)8(11)5-7(2)3/h7-8H,4-6,11H2,1-3H3,(H,12,14)/t8-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate?
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate has a molecular weight of 216.28 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetate is sourced from PubChem (CID 11390304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).